| SpectraBase Spectrum ID |
DQdKqLUjLOh |
| Name |
L-Carnosine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
305-84-0
7683-28-5 |
| ChEBI ID |
15727 |
| Comments |
100 mM L-carnosine - vendor: Acros 208170050; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9H14N4O3 |
| IUPAC Name |
2-(3-aminopropanoylamino)-3-(3H-imidazol-4-yl)propanoic acid; 2-[(3-amino-1-oxo-propyl)amino]-3-(3H-imidazol-4-yl)propanoic acid |
| InChI |
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 |
| InChIKey |
CQOVPNPJLQNMDC-ZETCQYMHSA-N |
| KEGG Compound ID |
C00386 |
| KEGG Pathways |
PATH: map00252 Alanine and aspartate metabolism
PATH: map00340 Histidine metabolism
PATH: map00410 beta-Alanine metabolism |
| PubChem Compound ID |
9369 |
| SMILES |
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN |
| Source File Reference |
bmse000246 |
